SCHEMBL28028498

SCHEMBL28028498

CCOc1ccccc1C=CBr

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
ATM Q13315 1/20 0.51
AR P10275 1/20 0.49
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 5/20 0.47
NPSR1 Q6W5P4 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PTGES2 Q9H7Z7 1/20 0.46
KDM4E B2RXH2 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 1/20 0.45
MEN1 O00255 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
HPGD P15428 3/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2632229 0.88 MAPT (0.54) MAPTSMN1; SMN2LMNAATMAR
SCHEMBL10436448 0.84 MAPT (0.51) MAPTSMN1; SMN2LMNAATMAR
SCHEMBL10436451 0.84 MAPT (0.51) MAPTSMN1; SMN2LMNAATMAR
SCHEMBL6200407 0.82 MAPT (0.50) MAPTSMN1; SMN2LMNAATMAR
SCHEMBL6200410 0.82 MAPT (0.50) MAPTSMN1; SMN2LMNAATMAR
SCHEMBL2488791 0.81 ALDH1A1 (0.54) MAPTSMN1; SMN2LMNAATMALDH1A1
SCHEMBL2930836 0.81 NFE2L2 (0.65) MAPTSMN1; SMN2LMNAATMALDH1A1
SCHEMBL9063138 0.81 CDK4 (0.65) MAPTSMN1; SMN2LMNAATMAR
SCHEMBL28398139 0.81 CDK4 (0.65) MAPTSMN1; SMN2LMNAATMAR
SCHEMBL2930839 0.81 NFE2L2 (0.65) MAPTSMN1; SMN2LMNAATMALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104812790-B Organopolysiloxane graft polymers 花王株式会社 2019-04-12 CN disclosed
CN-104812790-A Organopolysiloxane graft polymer KAO CORP 2015-07-29 CN disclosed